[[4-(phenylsulfonyldiazenyl)phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-(phenylsulfonyldiazenyl)phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(benzenesulfonylazo)anilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(benzenesulfonylazo)anilino] ester IUPAC Name: [4-(benzenesulfonyldiazenyl)anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-besylazoanilino) ester Formula: C19H13N5O8S MolecularWeight: 471.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O8S/c25-19(13-10-16(23(26)27)12-17(11-13)24(28)29)32-21-15-8-6-14(7-9-15)20-22-33(30,31)18-4-2-1-3-5-18/h1-12,21H